SCHEMBL7826044

SCHEMBL7826044

CN1CCC[C@@H]1COc1cnc(Cl)c(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 6/20 0.64
CHRNB4 P30926 5/20 0.64
CHRNA7 P36544 1/20 0.64
CHRNB2 P17787 6/20 0.60
CHRNA4 P43681 4/20 0.60
CHRNB1 P11230 3/20 0.60
CHRNB3 Q05901 3/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7824784 1.00 CHRNA3 (0.64) CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4
SCHEMBL7827644 0.93 CHRNA3 (0.59) CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4
SCHEMBL7827507 0.93 CHRNA3 (0.59) CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7831522 0.91 CHRNA3 (0.57) CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4
SCHEMBL6587156 0.89 CHRNA3 (0.64) CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6582949 0.88 CHRNA3 (0.63) CHRNA3CHRNB4CHRNA7CHRNB2CHRNA4
SCHEMBL7817537 0.86 CHRNB2 (0.62) CHRNA3CHRNB4CHRNB2CHRNA4CHRNB1
SCHEMBL7829093 0.86 CHRNB2 (0.62) CHRNA3CHRNB4CHRNB2CHRNA4CHRNB1
SCHEMBL7828862 0.85 CHRNB2 (0.57) CHRNA3CHRNB4CHRNB2CHRNA4CHRNB1
SCHEMBL7816651 0.85 CHRNB2 (0.57) CHRNA3CHRNB4CHRNB2CHRNA4CHRNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP claimed
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP disclosed